Geometry & MOs

Info

ID:

335164

PubChem CID:

127254025

Reduced:

NO3H15C17 (2)

Stoich.:

AB3C15D17 (2)

Weight, g/mol:

477.076134

ΔHf, kcal/mol:

-112.9

Dipole, Da:

3.66

IP(EA), eV:

 -8.64(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]-N-(1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(O1)C(=C(O2)C3=CC=C(C=C3)OC)CC(=O)NCC(C4=CC=C(C=C4)OC)C5=CNC6=CC=CC=C65

DOS

IR

Vibrations